3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole

C34H21N11O2 — CID 140976008

IUPAC3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole
SMILESc1c[nH]c(-c2c(-c3cc[nH]n3)c(-c3c[nH]nn3)c(-c3noc4ccccc34)c3c2c(-c2cc4ccccc4[nH]2)nn3-c2ncco2)c1
InChIInChI=1S/C34H21N11O2/c1-3-8-20-18(6-1)16-23(39-20)32-30-26(21-9-5-12-35-21)27(22-11-13-37-40-22)28(24-17-38-44-41-24)29(31-19-7-2-4-10-25(19)47-43-31)33(30)45(42-32)34-36-14-15-46-34/h1-17,35,39H,(H,37,40)(H,38,41,44)
InChIKeyDEOQUNJSEFOJCY-UHFFFAOYSA-N
MW615.62 g/mol
LogP7.14
Rot. Bonds6

About 3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole

3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole (PubChem CID 140976008) has the molecular formula C34H21N11O2 and a molecular weight of 615.62 g/mol. Its IUPAC name is 3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole.

Molecular Properties

Compound Name3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole
PubChem CID140976008
Molecular FormulaC34H21N11O2
Molecular Weight615.62 g/mol
Exact Mass615.19
IUPAC Name3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole
SMILESc1c[nH]c(-c2c(-c3cc[nH]n3)c(-c3c[nH]nn3)c(-c3noc4ccccc34)c3c2c(-c2cc4ccccc4[nH]2)nn3-c2ncco2)c1
InChIInChI=1S/C34H21N11O2/c1-3-8-20-18(6-1)16-23(39-20)32-30-26(21-9-5-12-35-21)27(22-11-13-37-40-22)28(24-17-38-44-41-24)29(31-19-7-2-4-10-25(19)47-43-31)33(30)45(42-32)34-36-14-15-46-34/h1-17,35,39H,(H,37,40)(H,38,41,44)
InChIKeyDEOQUNJSEFOJCY-UHFFFAOYSA-N
XLogP7.14
TPSA171.71 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.62
LogP ≤ 57.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(1H-imidazol-2-yl)-6-(1,2-oxazol-3-yl)-5-(1H-pyrazol-3-yl)-2-pyrimidin-2-yl-1-(1H-pyrrol-2-yl)-4-(1H-triazol-4-yl)indol-7-yl]-1,3-oxazole
CID 141071928
2-[2-(1H-imidazol-2-yl)-1-isoquinolin-1-yl-6-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)benzimidazol-5-yl]-1,3-benzoxazole
CID 141151092
3-[2-(1-benzofuran-2-yl)-3-(2,1,3-benzoxadiazol-4-yl)-6-(1H-imidazol-2-yl)-4-(1H-indazol-3-yl)phenyl]-1H-benzimidazol-2-one
CID 141220961
2-[4-(1-benzothiophen-2-yl)-2-(2,3-dihydro-1H-isoindol-1-yl)-2-(furan-2-yl)-7-(1,2-oxazol-3-yl)-3-phenyl-6-(1H-pyrazol-3-yl)-5-thiophen-2-ylbenzimidazol-1-yl]-1,3-oxazole
CID 141442674
2-tert-butyl-6-propan-2-yl-1H-benzimidazole;3-tert-butyl-5-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylbenzene;2-propan-2-yl-1,3-benzoxazole;bis(5-propan-2-yl-1,3-dihydroindol-2-one);5-propan-2-yl-1H-indole;4-(4-propan-2-ylphenyl)-1H-pyrazole;sulfur dioxide
CID 158656673
2,5-dimethyl-4-propan-2-yl-1,3-oxazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-benzoxazole;2-methyl-5-propan-2-yl-1H-imidazole;5-methyl-4-propan-2-yl-1H-imidazole;1-methyl-6-propan-2-ylindole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;6-propan-2-ylimidazo[1,2-a]pyridine;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-indazole;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 160826387
2,3-dimethyl-1-benzofuran;2,4-dimethyl-1-benzofuran;2,5-dimethyl-1-benzofuran;2,6-dimethyl-1-benzofuran;2,7-dimethyl-1-benzofuran;3,4-dimethyl-1-benzofuran;3,5-dimethyl-1-benzofuran;3,6-dimethyl-1-benzofuran;3,7-dimethyl-1-benzofuran;4,5-dimethyl-1-benzofuran;4,6-dimethyl-1-benzofuran;4,7-dimethyl-1-benzofuran;6,7-dimethyl-1-benzofuran;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);4,5-dimethyl-1H-imidazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;bis(4,5-dimethyl-1H-pyrazole);1,2-dimethylpyrrole;1,3-dimethylpyrrole;2,3-dimethyl-1H-pyrrole;2,4-dimethyl-1H-pyrrole;2,5-dimethyl-1H-pyrrole;3,4-dimethyl-1H-pyrrole;1,3-dimethyl-1,2,4-triazole;1,5-dimethyl-1,2,4-triazole;3,4-dimethyl-1,2,4-triazole;bis(3,5-dimethyl-1H-1,2,4-triazole)
CID 161109825
10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-c]pyrazole;5-(2-propan-2-yl-1H-imidazol-5-yl)-10-(2-propan-2-yl-3H-pyrrol-4-yl)-1H-phenanthro[9,10-d]imidazole;10-(2-propan-2-yl-1H-imidazol-5-yl)-5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[9,10-d][1,3]oxazole;2-propan-2-yl-5-[5-(2-propan-2-yl-3H-pyrrol-4-yl)phenanthro[10,9-b]furan-10-yl]-1H-imidazole
CID 161904431
4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-1,5-dimethylindole;4-tert-butyl-1-(2-fluoroethyl)indole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-4-fluoro-1H-indole;3-tert-butyl-7-fluoro-1H-indole;4-tert-butyl-7-fluoro-1H-indole;6-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-2H-indazole;7-tert-butyl-1H-indazole;7-tert-butyl-1H-indole;4-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-2-methylindazole;3-tert-butyl-5-methyl-2H-indazole;3-tert-butyl-6-methyl-2H-indazole;5-tert-butyl-1-methylindazole;5-tert-butyl-7-methyl-1H-indazole;7-tert-butyl-1-methylindazole;3-tert-butyl-5-methyl-1H-indole;bis(3-tert-butyl-6-methyl-1H-indole);4-tert-butyl-1-methylindole;7-tert-butyl-1-methylindole
CID 167611577

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole?
The IUPAC name of 3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole (CID 140976008) is 3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole.
What is the SMILES notation for 3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole?
The canonical SMILES for 3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole is c1c[nH]c(-c2c(-c3cc[nH]n3)c(-c3c[nH]nn3)c(-c3noc4ccccc34)c3c2c(-c2cc4ccccc4[nH]2)nn3-c2ncco2)c1.
What is the InChIKey of 3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole?
The InChIKey is DEOQUNJSEFOJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H21N11O2/c1-3-8-20-18(6-1)16-23(39-20)32-30-26(21-9-5-12-35-21)27(22-11-13-37-40-22)28(24-17-38-44-41-24)29(31-19-7-2-4-10-25(19)47-43-31)33(30)45(42-32)34-36-14-15-46-34/h1-17,35,39H,(H,37,40)(H,38,41,44).
What are the key properties of 3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole?
3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole has a molecular weight of 615.62 g/mol, XLogP of 7.14, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1H-indol-2-yl)-1-(1,3-oxazol-2-yl)-5-(1H-pyrazol-3-yl)-4-(1H-pyrrol-2-yl)-6-(1H-triazol-4-yl)indazol-7-yl]-1,2-benzoxazole is sourced from PubChem (CID 140976008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).